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Merge pull request #182038 from natsukium/dssp/init

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dssp: init at 4.0.5
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Winter 2022-07-20 01:06:16 -04:00 committed by GitHub
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25
pkgs/applications/science/biology/dssp/default.nix Normal file
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@ -0,0 +1,25 @@
{ lib, stdenv, fetchFromGitHub, boost, cmake, libcifpp, zlib, }:
stdenv.mkDerivation rec {
pname = "dssp";
version = "4.0.5";
src = fetchFromGitHub {
owner = "PDB-REDO";
repo = pname;
rev = "v${version}";
sha256 = "1x35rdcm4fch66pjbmy73lv0gdb6g9y3v023a66512a6nzsqjsir";
};
nativeBuildInputs = [ cmake ];
buildInputs = [ boost libcifpp zlib ];
meta = with lib; {
description = "Calculate the most likely secondary structure assignment given the 3D structure of a protein";
homepage = "https://github.com/PDB-REDO/dssp";
license = licenses.bsd2;
maintainers = with maintainers; [ natsukium ];
platforms = platforms.unix;
};
}

25
pkgs/development/libraries/libcifpp/default.nix Normal file
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@ -0,0 +1,25 @@
{ lib, stdenv, fetchFromGitHub, boost, cmake, }:
stdenv.mkDerivation rec {
pname = "libcifpp";
version = "4.2.0";
src = fetchFromGitHub {
owner = "PDB-REDO";
repo = pname;
rev = "v${version}";
sha256 = "1hzi6fgbsmy8h8nfwkyfds9jz13nqw72h0x81jqw5516kkvar5iw";
};
nativeBuildInputs = [ cmake ];
buildInputs = [ boost ];
meta = with lib; {
description = "Manipulate mmCIF and PDB files";
homepage = "https://github.com/PDB-REDO/libcifpp";
license = licenses.bsd2;
maintainers = with maintainers; [ natsukium ];
platforms = platforms.unix;
};
}

4
pkgs/top-level/all-packages.nix
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@ -18729,6 +18729,8 @@ with pkgs;
libchop = callPackage ../development/libraries/libchop { };
libcifpp = callPackage ../development/libraries/libcifpp { };
libcint = callPackage ../development/libraries/libcint { };
libclc = callPackage ../development/libraries/libclc { };
@ -33410,6 +33412,8 @@ with pkgs;
diamond = callPackage ../applications/science/biology/diamond { };
dssp = callPackage ../applications/science/biology/dssp { };
ecopcr = callPackage ../applications/science/biology/ecopcr { };
eggnog-mapper = callPackage ../applications/science/biology/eggnog-mapper { };